element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
Tersoff_LAMMPS_Tersoff_1994_SiC__MO_794973922560_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 19:16:14     -115.316130         0.502759
BFGS:    1 19:16:14     -115.348081         0.550394
BFGS:    2 19:16:15     -115.361811         0.517016
BFGS:    3 19:16:15     -115.374006         0.504310
BFGS:    4 19:16:15     -115.409954         0.444463
BFGS:    5 19:16:15     -115.440554         0.367283
BFGS:    6 19:16:15     -115.465385         0.284234
BFGS:    7 19:16:15     -115.483210         0.207314
BFGS:    8 19:16:15     -115.492879         0.097126
BFGS:    9 19:16:16     -115.494442         0.054878
BFGS:   10 19:16:16     -115.494521         0.053645
BFGS:   11 19:16:16     -115.494965         0.049358
BFGS:   12 19:16:16     -115.495192         0.054972
BFGS:   13 19:16:16     -115.495463         0.031133
BFGS:   14 19:16:16     -115.495515         0.016813
BFGS:   15 19:16:16     -115.495525         0.015465
BFGS:   16 19:16:17     -115.495531         0.014325
BFGS:   17 19:16:17     -115.495547         0.010960
BFGS:   18 19:16:17     -115.495567         0.012270
BFGS:   19 19:16:17     -115.495581         0.007339
BFGS:   20 19:16:17     -115.495585         0.001832
BFGS:   21 19:16:17     -115.495585         0.000173
BFGS:   22 19:16:17     -115.495585         0.000018
BFGS:   23 19:16:18     -115.495585         0.000007
BFGS:   24 19:16:18     -115.495585         0.000001
BFGS:   25 19:16:18     -115.495585         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.901563871752203e-09 eV/Angstrom
Maximum stress component: 1.4212206709992332e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.85803001e-01 1.67572798e-01 1.47522209e-36]
 [8.14196999e-01 8.32427202e-01 1.05147051e-35]
 [8.14196999e-01 1.67572798e-01 0.00000000e+00]
 [1.85803001e-01 8.32427202e-01 4.62506518e-37]
 [6.85803001e-01 6.67572798e-01 8.83826250e-37]
 [3.14196999e-01 3.32427202e-01 9.19743973e-36]
 [3.14196999e-01 6.67572798e-01 0.00000000e+00]
 [6.85803001e-01 3.32427202e-01 0.00000000e+00]
 [1.87754320e-01 4.10285817e-01 5.00000000e-01]
 [8.12245680e-01 5.89714183e-01 5.00000000e-01]
 [8.12245680e-01 4.10285817e-01 5.00000000e-01]
 [1.87754320e-01 5.89714183e-01 5.00000000e-01]
 [6.87754320e-01 9.10285817e-01 5.00000000e-01]
 [3.12245680e-01 8.97141834e-02 5.00000000e-01]
 [3.12245680e-01 9.10285817e-01 5.00000000e-01]
 [6.87754320e-01 8.97141834e-02 5.00000000e-01]]
cellpar =  Cell([[4.166320032251429, 1.7782251433741543e-36, 0.0], [7.378856955583015e-36, 8.802942090767232, 0.0], [0.0, 0.0, 2.5507906001289316]])
forces =  [[-2.03841839e-11 -1.53860307e-09  0.00000000e+00]
 [ 2.03841839e-11  1.53860307e-09  0.00000000e+00]
 [ 2.03841839e-11 -1.53860307e-09 -9.43227648e-32]
 [-2.03841839e-11  1.53860307e-09  0.00000000e+00]
 [-2.03841839e-11 -1.53860307e-09  0.00000000e+00]
 [ 2.03841839e-11  1.53860307e-09  6.28818432e-32]
 [ 2.03841839e-11 -1.53860307e-09 -1.25763686e-31]
 [-2.03841839e-11  1.53860307e-09  0.00000000e+00]
 [ 3.49041718e-09 -3.90156387e-09 -3.14409216e-32]
 [-3.49041718e-09  3.90156387e-09  0.00000000e+00]
 [-3.49041718e-09 -3.90156387e-09  0.00000000e+00]
 [ 3.49041718e-09  3.90156387e-09  0.00000000e+00]
 [ 3.49041718e-09 -3.90156387e-09 -1.25763686e-31]
 [-3.49041718e-09  3.90156387e-09  0.00000000e+00]
 [-3.49041718e-09 -3.90156387e-09  0.00000000e+00]
 [ 3.49041718e-09  3.90156387e-09 -9.43227648e-32]]
stress =  [2.89590255e-10 1.42122067e-09 2.89422889e-11 0.00000000e+00
 0.00000000e+00 1.07544936e-32]
energy per atom =  -7.218474084940516
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0